56642999 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 9 9 9 9 8 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 6 7 7 8 9 9 9 10 10 10 11 12 12 12 13 13 16 16 17 17 18 18 19 19 20 20 21 21 22 23 24 24 25 25 27 27 28 29 29 30 30 31 31 32 28 33 33 33 14 15 26 33 23 11 23 36 11 14 16 15 13 14 17 15 18 19 20 21 34 22 35 24 37 25 38 22 39 40 27 26 41 26 42 28 29 30 31 43 32 44 32 45 46 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 2 2 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 3.866 3 2 4 7.3301 7.3301 3 6.4641 5.5981 6.4641 6.4641 8.1962 8.1962 7.3301 7.3301 5.5981 9.0901 9.0901 4.732 5.5981 9.9962 9.9962 5.5981 3.866 4.732 3.866 4.732 3.866 4.732 3 3.866 3 3 9.0829 9.0829 5.0611 4.732 6.135 10.5319 10.5319 3.3291 4.732 5.269 2.4631 3.866 2.4631 -1.25 4.25 3.25 3.25 1.75 -2.25 2.25 -2.75 -1.25 0.25 -0.75 0.25 -0.75 0.75 -1.25 0.75 0.7847 -1.2847 0.25 1.75 0.2708 -0.7708 -2.25 0.75 2.25 1.75 -2.75 -2.25 -3.75 -2.75 -4.25 -3.75 3.25 1.4046 -1.9046 -0.94 -0.37 2.06 0.5829 -1.0829 0.44 2.87 -4.06 -2.44 -4.87 -4.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 12 12 13 16 16 17 18 19 20 21 24 25 27 27 28 29 30 31 13 17 18 19 20 21 22 24 25 22 26 26 28 29 30 31 32 32 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 816 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07A39C00000000000000000000000000000000000003060C1000000000000815000001F00100000000C0C819818300682C004008802A5525000820800242000088801860CC80C263284B53B84312864C41188A9C799C9E08EA0000000001000004000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[1,4-dioxo-3-[4-(trifluoromethoxy)phenyl]-2-naphthyl]-2-fluoro-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[1,4-dioxo-3-[4-(trifluoromethoxy)phenyl]-2-naphthalenyl]-2-fluorobenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[1,4-dioxo-3-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]-2-fluorobenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[1,4-dioxo-3-[4-(trifluoromethoxy)phenyl]naphthalen-2-yl]-2-fluorobenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[1,4-bis(oxidanylidene)-3-[4-(trifluoromethyloxy)phenyl]naphthalen-2-yl]-2-fluoranyl-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[1,4-diketo-3-[4-(trifluoromethoxy)phenyl]-2-naphthyl]-2-fluoro-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H13F4NO4/c25-18-8-4-3-7-17(18)23(32)29-20-19(13-9-11-14(12-10-13)33-24(26,27)28)21(30)15-5-1-2-6-16(15)22(20)31/h1-12H,(H,29,32) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZJRNCQNBCSKICZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 455.07807054 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H13F4NO4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 455.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=O)C(=C(C2=O)NC(=O)C3=CC=CC=C3F)C4=CC=C(C=C4)OC(F)(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C(=O)C(=C(C2=O)NC(=O)C3=CC=CC=C3F)C4=CC=C(C=C4)OC(F)(F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 72.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 455.07807054 33 0 0 0 0 0 0 0 1 -1